Li2VSiO4
Li2VSiO4 is a metastable semiconducting lithium vanadium silicate compound investigated for its potential utility in electrochemical energy storage.
About Li2VSiO4
Li2VSiO4 is a complex silicate compound containing lithium, vanadium, silicon, and oxygen. As a semiconducting material, it represents a unique intersection of transition metal chemistry and silicate frameworks, drawing interest for its potential electrochemical functionality.
Although it is classified as a metastable phase, the interest in this compound is evidenced by its presence across multiple structural databases. Its specific arrangement of ions suggests a complex electronic landscape that is highly relevant for researchers investigating novel electrode materials for next-generation battery technologies.
Key Properties
Cross-validated computational properties for Li2VSiO4, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Li2VSiO4, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| Pmn21 (No. 31) | orthorhombic | 2.02 | 0.0751 | -7.382 | 3.04 |
| Pnma (No. 62) | orthorhombic | 1.89 | 0.0753 | -7.382 | 2.98 |
| P1 (No. 1) | triclinic | 1.62 | 0.0839 | -7.373 | 3.06 |
| Pc (No. 7) | monoclinic | 1.75 | 0.0989 | -7.358 | 2.94 |
| Pc (No. 7) | — | — | — | — | — |
| Pnma (No. 62) | Orthorhombic | — | — | — | 2.98 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.09 |
| Pmn21 (No. 31) | Orthorhombic | — | — | — | 3.04 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.19 |
| Pc (No. 7) | Monoclinic | — | — | — | 3.04 |
| Pc (No. 7) | Monoclinic | — | — | — | 3.14 |
| Pmn21 (No. 31) | Orthorhombic | — | — | — | 3.24 |
Applications
Where Li2VSiO4 is used.
Frequently Asked Questions
Common questions about Li2VSiO4, answered from cross-validated data.
What is Li2VSiO4?
Li2VSiO4 is a metastable semiconducting lithium vanadium silicate compound investigated for its potential utility in electrochemical energy storage.
What is Li2VSiO4 used for?
What is the band gap of Li2VSiO4?
Is Li2VSiO4 a metal, semiconductor, or insulator?
Is Li2VSiO4 thermodynamically stable?
What is the crystal structure of Li2VSiO4?
What is the density of Li2VSiO4?
How many polymorphs of Li2VSiO4 are known?
What elements does Li2VSiO4 contain?
Where does the data for Li2VSiO4 come from?
How It Compares
As a distinct member of the silicate family, Li2VSiO4 occupies a specialized niche where its metastable nature and semiconducting behavior differentiate it from more common, highly stable mineral-like silicates. It serves as a focal point for exploring how vanadium integration can tune the electronic properties of lithium-containing silicate frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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